Merge pull request #502 from GOMC-WSU/jpotoff-patch-1

Update FFSetup.cpp
GOMC-WSU · Jun 27, 2023 · bf04333 · bf04333
2 parents 012eaa3 + 1ab760d
commit bf04333
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/FFSetup.cpp b/src/FFSetup.cpp
@@ -380,6 +380,7 @@ void Dihedral::Read(Reader &param, std::string const &firstVar) {
   if (index == 0) {
     // set phase shift for n=0 to 90 degree
     // We will have C0 = Kchi (1 + cos(0 * phi + 90)) = Kchi
+    //this avoids double counting the C0 (constant offset) term, which is used force fields like TraPPE
     def = 90.00;
   }
   Add(merged, coeff, index, def);